5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

C9H7BrN2O2S — CID 5165747

IUPAC5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(Br)o2)s1
InChIInChI=1S/C9H7BrN2O2S/c1-5-4-11-9(15-5)12-8(13)6-2-3-7(10)14-6/h2-4H,1H3,(H,11,12,13)
InChIKeyPEZPKRCSYQLBMP-UHFFFAOYSA-N
MW287.14 g/mol
LogP3.06
Rot. Bonds2

About 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 5165747) has the molecular formula C9H7BrN2O2S and a molecular weight of 287.14 g/mol. Its IUPAC name is 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID5165747
Molecular FormulaC9H7BrN2O2S
Molecular Weight287.14 g/mol
Exact Mass285.94
IUPAC Name5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(Br)o2)s1
InChIInChI=1S/C9H7BrN2O2S/c1-5-4-11-9(15-5)12-8(13)6-2-3-7(10)14-6/h2-4H,1H3,(H,11,12,13)
InChIKeyPEZPKRCSYQLBMP-UHFFFAOYSA-N
XLogP3.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 5165747) is 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is Cc1cnc(NC(=O)c2ccc(Br)o2)s1.
What is the InChIKey of 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is PEZPKRCSYQLBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2S/c1-5-4-11-9(15-5)12-8(13)6-2-3-7(10)14-6/h2-4H,1H3,(H,11,12,13).
What are the key properties of 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 287.14 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 5165747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).